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BDBM50429614 CHEMBL2334589

SMILES: COCCOc1cnc(N)nc1-c1c[nH]c2ccc(cc12)C#CC(C)(C)O

InChI Key: InChIKey=ZZIZLABGKZWVAW-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50429614   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50429614
PNG
(CHEMBL2334589)
Show SMILES COCCOc1cnc(N)nc1-c1c[nH]c2ccc(cc12)C#CC(C)(C)O
Show InChI InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)
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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) autophosphorylation after 1 hr by chemiluminescent assay


Bioorg Med Chem Lett 23: 1238-44 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.012
BindingDB Entry DOI: 10.7270/Q2J967RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50429614
PNG
(CHEMBL2334589)
Show SMILES COCCOc1cnc(N)nc1-c1c[nH]c2ccc(cc12)C#CC(C)(C)O
Show InChI InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of NIK in human HT-29 cells assessed as LTalpha/beta2-induced p100 processing to NFkappaB2 preincubated for 30 mins before LTalpha/beta2 s...


Bioorg Med Chem Lett 23: 1238-44 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.012
BindingDB Entry DOI: 10.7270/Q2J967RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)